3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide

C17H11N3O2S — CID 159870746

IUPAC3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide
SMILESN#CC1=CCc2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc21
InChIInChI=1S/C17H11N3O2S/c18-10-12-2-1-3-16(8-12)23(21,22)20-15-7-6-13-4-5-14(11-19)17(13)9-15/h1-3,5-9,20H,4H2
InChIKeyNSHRKLZOWGFJSL-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.82
Rot. Bonds3

About 3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide

3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide (PubChem CID 159870746) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide
PubChem CID159870746
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide
SMILESN#CC1=CCc2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc21
InChIInChI=1S/C17H11N3O2S/c18-10-12-2-1-3-16(8-12)23(21,22)20-15-7-6-13-4-5-14(11-19)17(13)9-15/h1-3,5-9,20H,4H2
InChIKeyNSHRKLZOWGFJSL-UHFFFAOYSA-N
XLogP2.82
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzenesulfonamide
CID 5161699
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
CID 103822995
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
3-cyano-N-(1H-indol-5-yl)benzenesulfonamide
CID 5239673
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
N-(4-chloro-3-nitrophenyl)-3-cyanobenzenesulfonamide
CID 8523387
3-cyano-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 39875664
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372
3-cyano-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 35543957
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide (CID 159870746) is 3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide is N#CC1=CCc2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc21.
What is the InChIKey of 3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide?
The InChIKey is NSHRKLZOWGFJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c18-10-12-2-1-3-16(8-12)23(21,22)20-15-7-6-13-4-5-14(11-19)17(13)9-15/h1-3,5-9,20H,4H2.
What are the key properties of 3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide?
3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide has a molecular weight of 321.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide is sourced from PubChem (CID 159870746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).